For multi-state calculations, to extract state 2 use:
`` QP_STATE=2 qp_run save_for_qmcpack x.ezfio `` (state 1 is the ground state).
- ao_pseudo_grid
- Grid points for f(|r-r_A|) = int Y_{lm}^{C} (|r-r_C|, Omega_C) chi_i^{A} (r-r_A) dOmega_C .br <img src="http://latex.codecogs.com/gif.latex?f(|r-r_A|)&space;=&space;int&space;Y_{lm}^{C}&space;(|r-r_C|,&space;Omega_C)&space;chi_i^{A}&space;(r-r_A)&space;dOmega_C" title="f(|r-r_A|) = int Y_{lm}^{C} (|r-r_C|, Omega_C) chi_i^{A} (r-r_A) dOmega_C" />
- mo_pseudo_grid
- Grid points for f(|r-r_A|) = int Y_{lm}^{C} (|r-r_C|, Omega_C) phi_i^{A} (r-r_A) dOmega_C .br <img src="http://latex.codecogs.com/gif.latex?f(|r-r_A|)&space;=&space;int&space;Y_{lm}^{C}&space;(|r-r_C|,&space;Omega_C)&space;chi_i^{A}&space;(r-r_A)&space;dOmega_C" title="f(|r-r_A|) = int Y_{lm}^{C} (|r-r_C|, Omega_C) chi_i^{A} (r-r_A) dOmega_C" />
- save_for_qmc
- Undocumented
- test_pseudo_grid_ao
- Undocumented
- write_pseudopotential
- Write the pseudo_potential into the EZFIO file
- ao_pseudo_grid
- Grid points for f(|r-r_A|) = int Y_{lm}^{C} (|r-r_C|, Omega_C) chi_i^{A} (r-r_A) dOmega_C .br <img src="http://latex.codecogs.com/gif.latex?f(|r-r_A|)&space;=&space;int&space;Y_{lm}^{C}&space;(|r-r_C|,&space;Omega_C)&space;chi_i^{A}&space;(r-r_A)&space;dOmega_C" title="f(|r-r_A|) = int Y_{lm}^{C} (|r-r_C|, Omega_C) chi_i^{A} (r-r_A) dOmega_C" />
- compute_energy
- Compute an energy when a threshold is applied
- e_curve
- Undocumented
- mo_pseudo_grid
- Grid points for f(|r-r_A|) = int Y_{lm}^{C} (|r-r_C|, Omega_C) phi_i^{A} (r-r_A) dOmega_C .br <img src="http://latex.codecogs.com/gif.latex?f(|r-r_A|)&space;=&space;int&space;Y_{lm}^{C}&space;(|r-r_C|,&space;Omega_C)&space;chi_i^{A}&space;(r-r_A)&space;dOmega_C" title="f(|r-r_A|) = int Y_{lm}^{C} (|r-r_C|, Omega_C) chi_i^{A} (r-r_A) dOmega_C" />
- save_for_qmc
- Undocumented
- test_pseudo_grid_ao
- Undocumented
- write_pseudopotential
- Write the pseudo_potential into the EZFIO file